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NCID-ZINC01558098

 MMsINC code: MMs02221178
Type: Neutral
Formula: C9H14N2O2
SMILES:   O=C1N(CC(=O)NC12CCCC2)C
InChI:   InChI=1/C9H14N2O2/c1-11-6-7(12)10-9(8(11)13)4-2-3-5-9/h2-6H2,1H3,(H,10,12)

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Potential Energy
Epot(MMFF94)=73.536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.223 g/mol  logS: -0.93445  SlogP: -0.1126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183593  Sterimol/B1: 2.42115  Sterimol/B2: 3.21629  Sterimol/B3: 3.50044
  Sterimol/B4: 6.14107  Sterimol/L: 10.6345 
 
 Surface and Volume Properties
  Accessible surface: 363.837  Positive charged surface: 274.785  Negative charged surface: 89.0516  Volume: 174.25
  Hydrophobic surface: 276.326  Hydrophilic surface: 87.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.